6A4X

Oxidase ChaP-H2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97916
Spacegroup name	P 41 21 2
Unit cell lengths	76.870, 76.870, 47.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.200 - 1.630
R-factor	0.187
Rwork	0.186
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4z
Data reduction software	TRUNCATE
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.200	40.200	1.660
High resolution limit [Å]	1.630	8.930	1.630
Rmerge	0.072	0.050	0.907
Rmeas	0.078	0.056	0.977
Rpim	0.029	0.026	0.356
Total number of observations	127616	840	6246
Number of reflections	18139	145	866
<I/σ(I)>	13	33	2.1
Completeness [%]	99.7	99.4	99.9
Redundancy	7	5.8	7.2
CC(1/2)	0.996	0.980	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295.15	ammonium acetate, sodium citrate tribasic dihydrate, PEG 4000